1-ethyl-3-[1-(oxan-4-ylsulfonyl)piperidin-4-yl]-1-pyrrolidin-3-ylurea

C17H32N4O4S — CID 167935622

IUPAC1-ethyl-3-[1-(oxan-4-ylsulfonyl)piperidin-4-yl]-1-pyrrolidin-3-ylurea
SMILESCCN(C(=O)NC1CCN(S(=O)(=O)C2CCOCC2)CC1)C1CCNC1
InChIInChI=1S/C17H32N4O4S/c1-2-21(15-3-8-18-13-15)17(22)19-14-4-9-20(10-5-14)26(23,24)16-6-11-25-12-7-16/h14-16,18H,2-13H2,1H3,(H,19,22)
InChIKeyMCTVZDVYPQAEKT-UHFFFAOYSA-N
MW388.53 g/mol
LogP0.35
Rot. Bonds5

About 1-ethyl-3-[1-(oxan-4-ylsulfonyl)piperidin-4-yl]-1-pyrrolidin-3-ylurea

1-ethyl-3-[1-(oxan-4-ylsulfonyl)piperidin-4-yl]-1-pyrrolidin-3-ylurea (PubChem CID 167935622) has the molecular formula C17H32N4O4S and a molecular weight of 388.53 g/mol. Its IUPAC name is 1-ethyl-3-[1-(oxan-4-ylsulfonyl)piperidin-4-yl]-1-pyrrolidin-3-ylurea.

Molecular Properties

Compound Name1-ethyl-3-[1-(oxan-4-ylsulfonyl)piperidin-4-yl]-1-pyrrolidin-3-ylurea
PubChem CID167935622
Molecular FormulaC17H32N4O4S
Molecular Weight388.53 g/mol
Exact Mass388.21
IUPAC Name1-ethyl-3-[1-(oxan-4-ylsulfonyl)piperidin-4-yl]-1-pyrrolidin-3-ylurea
SMILESCCN(C(=O)NC1CCN(S(=O)(=O)C2CCOCC2)CC1)C1CCNC1
InChIInChI=1S/C17H32N4O4S/c1-2-21(15-3-8-18-13-15)17(22)19-14-4-9-20(10-5-14)26(23,24)16-6-11-25-12-7-16/h14-16,18H,2-13H2,1H3,(H,19,22)
InChIKeyMCTVZDVYPQAEKT-UHFFFAOYSA-N
XLogP0.35
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.53
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-cyclopropyl-1-propyl-1-pyrrolidin-3-ylurea
CID 62699859
N-(1-pyrrolidin-3-ylsulfonylpiperidin-4-yl)acetamide
CID 113402662
1-cyclopropyl-1-ethyl-3-(oxolan-3-yl)urea
CID 115760678
cis-(1R,3S)-3-[[ethyl(piperidin-4-yl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 106319383
(2S,3R)-N-[1-(oxan-4-ylsulfonyl)piperidin-4-yl]-2-propan-2-yloxolane-3-carboxamide
CID 129347354
(E)-N-ethyl-N-pyrrolidin-3-ylbut-2-enamide
CID 63299656
4-chloro-1-(oxan-4-ylsulfonyl)piperidine
CID 63396412
ethyl N-ethyl-N-pyrrolidin-3-ylcarbamate
CID 60805526
methyl (E)-4-[ethyl(pyrrolidin-3-yl)amino]-4-oxobut-2-enoate
CID 165440340
N-ethyl-N-piperidin-3-yloxane-4-sulfonamide
CID 55031572
N-[(3S)-pyrrolidin-3-yl]oxane-4-carboxamide
CID 79688091
3-chloro-N-ethyl-N-pyrrolidin-3-ylpropanamide
CID 165439782

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[1-(oxan-4-ylsulfonyl)piperidin-4-yl]-1-pyrrolidin-3-ylurea?
The IUPAC name of 1-ethyl-3-[1-(oxan-4-ylsulfonyl)piperidin-4-yl]-1-pyrrolidin-3-ylurea (CID 167935622) is 1-ethyl-3-[1-(oxan-4-ylsulfonyl)piperidin-4-yl]-1-pyrrolidin-3-ylurea.
What is the SMILES notation for 1-ethyl-3-[1-(oxan-4-ylsulfonyl)piperidin-4-yl]-1-pyrrolidin-3-ylurea?
The canonical SMILES for 1-ethyl-3-[1-(oxan-4-ylsulfonyl)piperidin-4-yl]-1-pyrrolidin-3-ylurea is CCN(C(=O)NC1CCN(S(=O)(=O)C2CCOCC2)CC1)C1CCNC1.
What is the InChIKey of 1-ethyl-3-[1-(oxan-4-ylsulfonyl)piperidin-4-yl]-1-pyrrolidin-3-ylurea?
The InChIKey is MCTVZDVYPQAEKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4O4S/c1-2-21(15-3-8-18-13-15)17(22)19-14-4-9-20(10-5-14)26(23,24)16-6-11-25-12-7-16/h14-16,18H,2-13H2,1H3,(H,19,22).
What are the key properties of 1-ethyl-3-[1-(oxan-4-ylsulfonyl)piperidin-4-yl]-1-pyrrolidin-3-ylurea?
1-ethyl-3-[1-(oxan-4-ylsulfonyl)piperidin-4-yl]-1-pyrrolidin-3-ylurea has a molecular weight of 388.53 g/mol, XLogP of 0.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[1-(oxan-4-ylsulfonyl)piperidin-4-yl]-1-pyrrolidin-3-ylurea is sourced from PubChem (CID 167935622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).